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  1. ALA4548659

    Name:
    4-(((4-benzyl-5-isobutyl-4H-1,2,4-triazol-3-yl)thi
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    Mol. Formula:
    C27H27FN4OS

    M.W.:
    474.61

    Type:
    Unknown

    AlogP:
    6.21

    Polar Surface Area:
    59.81

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.29

    DETAILS
  2. ALA4525534

    Name:
    4-Benzyl-5-isobutyl-4H-1,2,4-triazole-3-thiol

    Mol. Formula:
    C13H17N3S

    M.W.:
    247.37

    Type:
    Unknown

    AlogP:
    2.81

    Polar Surface Area:
    30.71

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.84

    DETAILS
  3. ALA4555739

    Name:
    2-(4-(4-Benzyl-5-(4-methoxyphenethyl)-4H-1,2,4-tri
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    Mol. Formula:
    C31H32N6O3

    M.W.:
    536.64

    Type:
    Unknown

    AlogP:
    4.93

    Polar Surface Area:
    96.09

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.26

    DETAILS
  4. ALA4541410

    Name:
    4-(((4-benzyl-5-ethyl-4H-1,2,4-triazol-3-yl)thio)m
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    Mol. Formula:
    C25H23FN4OS

    M.W.:
    446.55

    Type:
    Unknown

    AlogP:
    5.57

    Polar Surface Area:
    59.81

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.36

    DETAILS
  5. ALA5094121

    Name:
    N-(6-(2-((3r,5r,7r)-Adamantan-1-yl)acetamido)hexyl
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    Mol. Formula:
    C36H50N6O3

    M.W.:
    614.84

    Type:
    Unknown

    AlogP:
    5.69

    Polar Surface Area:
    110.91

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    14

    Passes Ro3:
    N

    QED Weighted:
    0.23

    DETAILS
  6. ALA5092958

    Name:
    N1-(((3r,5r,7r)-Adamantan-1-yl)methyl)-N11-(4-(2-(
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    Mol. Formula:
    C48H65N7O4

    M.W.:
    804.09

    Type:
    Unknown

    AlogP:
    8.43

    Polar Surface Area:
    140.01

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    21

    Passes Ro3:
    N

    QED Weighted:
    0.07

    DETAILS
  7. ALA5092661

    Name:
    N1-(((3r,5r,7r)-Adamantan-1-yl)methyl)-N5-(4-(2-(4
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    Mol. Formula:
    C42H53N7O4

    M.W.:
    719.93

    Type:
    Unknown

    AlogP:
    6.09

    Polar Surface Area:
    140.01

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    15

    Passes Ro3:
    N

    QED Weighted:
    0.14

    DETAILS
  8. ALA5089219

    Name:
    N-((3s,5s,7s)-Adamantan-1-yl)-4-(3,4-dimethyl-7-ox
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    Mol. Formula:
    C28H35N5O2

    M.W.:
    473.62

    Type:
    Unknown

    AlogP:
    4.37

    Polar Surface Area:
    81.81

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.58

    DETAILS
  9. ALA5087129

    Name:
    N1-(((3r,5r,7r)-Adamantan-1-yl)methyl)-N7-(4-(2-(4
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    Mol. Formula:
    C44H57N7O4

    M.W.:
    747.98

    Type:
    Unknown

    AlogP:
    6.87

    Polar Surface Area:
    140.01

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    17

    Passes Ro3:
    N

    QED Weighted:
    0.10

    DETAILS
  10. ALA5086138

    Name:
    N-(2-(2-((3r,5r,7r)-Adamantan-1-yl)acetamido)ethyl
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    Mol. Formula:
    C32H42N6O3

    M.W.:
    558.73

    Type:
    Unknown

    AlogP:
    4.13

    Polar Surface Area:
    110.91

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.36

    DETAILS
  11. ALA5084808

    Name:
    N-(2-(2-(2-(2-((3r,5r,7r)-Adamantan-1-yl)acetamido
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    Mol. Formula:
    C36H50N6O5

    M.W.:
    646.83

    Type:
    Unknown

    AlogP:
    4.16

    Polar Surface Area:
    129.37

    HBA:
    9

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    16

    Passes Ro3:
    N

    QED Weighted:
    0.22

    DETAILS
  12. ALA5084153

    Name:
    N-(((3r,5r,7r)-Adamantan-1-yl)methyl)-4-(3,4-dimet
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    Mol. Formula:
    C29H37N5O2

    M.W.:
    487.65

    Type:
    Unknown

    AlogP:
    4.62

    Polar Surface Area:
    81.81

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.53

    DETAILS
  13. ALA5083136

    Name:
    N-(((3r,5r,7r)-Adamantan-1-yl)methyl)-6-(4-(3,4-di
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    Mol. Formula:
    C35H48N6O3

    M.W.:
    600.81

    Type:
    Unknown

    AlogP:
    5.30

    Polar Surface Area:
    110.91

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.26

    DETAILS
  14. ALA5082602

    Name:
    7-(2-((3r,5r,7r)-Adamantan-1-yl)acetamido)-N-(4-(2
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    Mol. Formula:
    C45H59N7O4

    M.W.:
    762.01

    Type:
    Unknown

    AlogP:
    7.26

    Polar Surface Area:
    140.01

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    18

    Passes Ro3:
    N

    QED Weighted:
    0.09

    DETAILS
  15. ALA5079726

    Name:
    N-(((3r,5r,7r)-Adamantan-1-yl)methyl)-4-(4-(3,4-di
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    Mol. Formula:
    C33H44N6O3

    M.W.:
    572.75

    Type:
    Unknown

    AlogP:
    4.52

    Polar Surface Area:
    110.91

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
  16. ALA5077941

    Name:
    N-(8-(2-((3r,5r,7r)-Adamantan-1-yl)acetamido)octyl
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    Mol. Formula:
    C38H54N6O3

    M.W.:
    642.89

    Type:
    Unknown

    AlogP:
    6.47

    Polar Surface Area:
    110.91

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    16

    Passes Ro3:
    N

    QED Weighted:
    0.17

    DETAILS
  17. ALA5072868

    Name:
    N-(4-(2-((3r,5r,7r)-Adamantan-1-yl)acetamido)butyl
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    Mol. Formula:
    C34H46N6O3

    M.W.:
    586.78

    Type:
    Unknown

    AlogP:
    4.91

    Polar Surface Area:
    110.91

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.29

    DETAILS
  18. ALA4540941

    Name:
    4-(((4-Benzyl-5-isobutyl-4H-1,2,4-triazol-3-yl)thi
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    Mol. Formula:
    C21H24N4OS

    M.W.:
    380.52

    Type:
    Unknown

    AlogP:
    3.92

    Polar Surface Area:
    73.80

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.60

    DETAILS
  19. ALA4538447

    Name:
    4-(((4-benzyl-5-isobutyl-4H-1,2,4-triazol-3-yl)thi
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    Mol. Formula:
    C28H27F3N4OS

    M.W.:
    524.61

    Type:
    Unknown

    AlogP:
    7.09

    Polar Surface Area:
    59.81

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.24

    DETAILS
  20. ALA4536719

    Name:
    4-(((4-benzyl-5-isobutyl-4H-1,2,4-triazol-3-yl)thi
    Show More

    Mol. Formula:
    C27H34N4OS

    M.W.:
    462.66

    Type:
    Unknown

    AlogP:
    5.88

    Polar Surface Area:
    59.81

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.40

    DETAILS
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